(R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile
(2R)-2-(3-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
Also Known As: allolactose|HOLOCALIN|EINECS 255-533-3|KST-1A4875|(R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile|(Hexopyranosyloxy)(3-hydroxyphenyl)acetonitrile|(2r)-(|A-d-glucopyranosyloxy)(3-hydroxyphenyl)ethanenitrile|(2R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile|(R)-alpha-(beta-D-Glucopyranosyloxy)-3-hydroxybenzeneacetonitrile|(2R)-2-(3-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile|(2R)-2-(3-HYDROXYPHENYL)-2-{[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}ACETONITRILE|(R)-2-(3-Hydroxyphenyl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)acetonitrile
| Molecular Formula | C14H17NO7 |
|---|---|
| Molecular Weight | 311.1005 g/mol |
| LogP | -1.23 |
| Topological Polar Surface Area | 143.4 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.1005 |
| Heavy Atoms | 22 |
| Complexity | 544.2 |
Chemical Identifiers
| CAS Number | 41753-54-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
Product Overview
(R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile (CAS 41753-54-2), with molecular formula C14H17NO7 and molecular weight 311.1005 g/mol. IUPAC: (2R)-2-(3-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile.
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